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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7ClN4O2
Molecular Weight 214.609
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-Chlorotheophylline

SMILES

CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O

InChI

InChIKey=RYIGNEOBDRVTHA-UHFFFAOYSA-N
InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)

HIDE SMILES / InChI
Molecular Formula C7H7ClN4O2
Molecular Weight 214.609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:46:22 UTC 2023
Edited
by admin
on Fri Dec 15 15:46:22 UTC 2023
Record UNII
GE2UA340FM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-Chlorotheophylline
Systematic Name English
8-CHLORTHEOPHYLLINE
WHO-DD  
Common Name English
CHLOROTHEOPHYLLINE
Systematic Name English
8-CHLORO-1,3-DIMETHYL-7H-PURINE-2,6-DIONE
Systematic Name English
8-CHLOROTHEOPHYLLINE [USP-RS]
Common Name English
PAMABROM RELATED COMPOUND A [USP-RS]
Common Name English
CHLORTHEOPHYLLINE
Common Name English
NSC-6113
Code English
8-chlortheophylline [WHO-DD]
Common Name English
Code System Code Type Description
SMS_ID
100000088821
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
PRIMARY
ECHA (EC/EINECS)
201-590-4
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
PRIMARY
CAS
85-18-7
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
PRIMARY
DRUG BANK
DB14132
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
PRIMARY
PUBCHEM
10661
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
PRIMARY
WIKIPEDIA
8-Chlorotheophylline
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
PRIMARY
RS_ITEM_NUM
1492700
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
ALTERNATIVE
MESH
C030093
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
PRIMARY
RS_ITEM_NUM
1121038
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
PRIMARY
DAILYMED
GE2UA340FM
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID5043764
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
PRIMARY
EVMPD
SUB23210
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
PRIMARY
NSC
6113
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
PRIMARY
RXCUI
236872
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
ALTERNATIVE
RXCUI
1546416
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
PRIMARY
FDA UNII
GE2UA340FM
Created by admin on Fri Dec 15 15:46:22 UTC 2023 , Edited by admin on Fri Dec 15 15:46:22 UTC 2023
PRIMARY
Related Record Type Details
Structure of DIMENHYDRINATE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Structure of PIPRINHYDRINATE
SALT/SOLVATE -> PARENT
Structure of DIMENHYDRINATE
SUBSTANCE->BASIS OF STRENGTH
Structure of MOXASTINE TEOCLATE
SALT/SOLVATE -> PARENT
Structure of DIMENHYDRINATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of 8-Chlorotheophylline
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